SCHEMBL31489188

SCHEMBL31489188

O=C(Nc1ccc(C23CCC(C(=O)O)(CC2)CC3)cc1)N1Cc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.57
TAS1R3 Q7RTX0 4/20 0.57
TAS1R1 Q7RTX1 4/20 0.57
TAS1R2 Q8TE23 4/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL31488978 0.87 NAMPT (0.57) NAMPTTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL31488895 0.86 NAMPT (0.56) NAMPT
SCHEMBL31489031 0.86 NAMPT (0.56) NAMPT
SCHEMBL31488910 0.81 TAS1R3 (0.61) NAMPTTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL31488874 0.80 NAMPT (0.64) NAMPTTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL31488982 0.79 NAMPT (0.45) NAMPTNPC1RAB9A
SCHEMBL10226370 0.79 NPC1 (0.78) NAMPTTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL31489030 0.78 MAPK1 (0.36) NAMPTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL31488989 0.75 NAMPT (0.57) NAMPT
SCHEMBL31488919 0.75 NAMPT (0.57) NAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed